[[4-[1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonyloxyphenyl]-phosphono-methyl]phosphonic acid

Systemtic Name: [[4-[1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonyloxyphenyl]-phosphono-methyl]phosphonic acid Openeye Name: [[4-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carbonyl]oxyphenyl]-phosphono-methyl]phosphonic acid CAS Name: [[4-[[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinyl]-oxomethoxy]phenyl]-phosphonomethyl]phosphonic acid IUPAC Name: [[4-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]oxyphenyl]-phosphonomethyl]phosphonic acid Traditional Name: [[4-[1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(3-methylpiperazino)quinoline-3-carbonyl]oxyphenyl]-phosphono-methyl]phosphonic acid Formula: C26H30FN3O10P2 MolecularWeight: 625.476425

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)OC4=CC=C(C=C4)C(P(=O)(O)O)P(=O)(O)O)C5CC5)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)OC4=CC=C(C=C4)C(P(=O)(O)O)P(=O)(O)O)C5CC5)F

InChI

InChI=1S/C26H30FN3O10P2/c1-14-12-29(10-9-28-14)22-20(27)11-18-21(24(22)39-2)30(16-5-6-16)13-19(23(18)31)25(32)40-17-7-3-15(4-8-17)26(41(33,34)35)42(36,37)38/h3-4,7-8,11,13-14,16,26,28H,5-6,9-10,12H2,1-2H3,(H2,33,34,35)(H2,36,37,38)